Assignment w1 w2 G13H-N 110.719 8.366 I14H-N 119.722 7.94 E15H-N 124.059 8.512 G16H-N 109.626 8.328 R17H-N 120.851 8.195 G18H-N 109.382 8.522 R19H-N 121.322 8.133 M20H-N 119.751 8.175 I25H-N 121.112 8.063 E26H-N 120.155 8.188 F27H-N 121.25 8.114 E28H-N 119.341 8.764 N29H-N 117.121 8.392 N29HD21-ND2 112.005 7.605 N29HD22-ND2 112.005 6.792 E30H-N 122.79 7.866 L31H-N 120.458 8.531 R32H-N 117.413 8.735 S33H-N 114.13 7.567 M34H-N 120.682 7.961 L35H-N 120.547 8.624 A36H-N 119.272 7.853 T37H-N 112.961 7.67 A38H-N 123.453 7.595 L39H-N 114.168 7.889 E40H-N 117.316 7.214 K41H-N 118.704 7.447 D42H-N 121.308 8.275 I43H-N 115.639 7.383 S44H-N 118.767 9.098 Q45H-N 121.407 9.04 E46H-N 119.136 8.703 E47H-N 120.539 7.684 R48H-N 119.848 8.871 N49H-N 116.61 8.683 N49HD21-ND2 112.463 7.732 N49HD22-ND2 112.463 6.916 A50H-N 119.864 7.235 L51H-N 119.299 8.087 N52H-N 118.765 8.861 N52HD21-ND2 110.412 7.498 N52HD22-ND2 110.412 6.742 I53H-N 121.054 7.973 A54H-N 122.564 7.355 E55H-N 118.531 8.438 K56H-N 117.867 8.057 A57H-N 122.058 7.999 L58H-N 120.519 8.239 D59H-N 122.229 8.292 N60H-N 117.594 7.76 N60HD21-ND2 113.596 7.951 N60HD22-ND2 113.596 6.788 S61H-N 112.414 7.938 E62H-N 117.98 7.799 Y63H-N 120.684 8.293 L64H-N 108.728 8.762 K66H-N 116.43 6.806 I67H-N 120.837 7.576 I68H-N 118.143 8.006 L69H-N 121.443 8.025 N70H-N 117.53 8.38 N70HD21-ND2 111.705 6.795 N70HD22-ND2 111.705 7.903 L71H-N 123.695 7.987 R72H-N 119.583 8.861 K73H-N 121.165 8.728 A74H-N 118.386 7.444 L75H-N 111.926 7.962 T76H-N 117.757 8.663 L78H-N 114.065 6.486 A79H-N 124.132 7.875 I80H-N 118.695 8.428 N81H-N 115.966 7.579 N81HD21-ND2 110.485 7.365 N81HD22-ND2 110.485 6.62 R82H-N 112.473 7.499 T83H-N 107.805 8.508 L84H-N 125.465 6.773 N85H-N 112.653 10.317 N85HD21-ND2 115.558 8.613 N85HD22-ND2 115.558 6.904 D87H-N 118.116 9.054 L88H-N 119.376 8.182 S89H-N 116.914 7.57 E90H-N 122.279 8.594 L91H-N 123.421 8.535 Y92H-N 119.472 8.599 K93H-N 119.972 8.328 F94H-N 119.982 8.144 I95H-N 110.222 8.25 T96H-N 109.238 7.052 S97H-N 118.236 7.132 L105H-N 118.918 7.804 G106H-N 106.94 7.947 G107H-N 107.994 8.084 G108H-N 108.358 8.252 L109H-N 121.173 7.931 I110H-N 121.187 7.986 M111H-N 123.406 8.155 W113H-N 122.098 7.921 W113HE1-NE1 129.331 10.041 G114H-N 109.329 8.039 R115H-N 119.768 7.873 L116H-N 122.958 8.108 F117H-N 123.774 7.454